5379-97-5

5379-97-5 structure

5379-97-5 structure

Name: diethyl 2-acetamido-2-(1H-indol-3-ylmethyl)propanedioate
Chemical Name: diethyl 2-acetamido-2-(1H-indol-3-ylmethyl)propanedioate
CAS Number: 5379-97-5
Molecular Formula: C₁₈H₂₂N₂O₅
Molecular Weight: 346.37800
Create Date: 2016-02-24 21:49:38
Modify Date: 2024-01-23 14:36:01

Name	diethyl 2-acetamido-2-(1H-indol-3-ylmethyl)propanedioate
Synonyms	Acetylamino-indol-3-ylmethyl-malonsaeure-diaethylester acetylamino-indol-3-ylmethyl-malonic acid diethyl ester

Density	1.238g/cm3
Boiling Point	551.3ºC at 760 mmHg
Molecular Formula	C₁₈H₂₂N₂O₅
Molecular Weight	346.37800
Flash Point	287.2ºC
Exact Mass	346.15300
PSA	97.49000
LogP	2.10240
Index of Refraction	1.573

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TY1700000

CHEMICAL NAME :: Propanedioic acid, (acetylamino)(1H-indol-3-ylmethyl)-, diethyl ester

CAS REGISTRY NUMBER :: 5379-97-5

BEILSTEIN REFERENCE NO. :: 0338581

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C18-H22-N2-O5

MOLECULAR WEIGHT :: 346.42

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >692 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 94,1620,1974

87-52-5 structure

87-52-5

1068-90-2 structure

1068-90-2

~99%

5379-97-5 structure

5379-97-5

Literature: Somei, Masanori; Karasawa, Yoshio; Kaneko, Chikara Heterocycles, 1981 , vol. 16, # 6 p. 941 - 949

6297-96-7 structure

6297-96-7

~%

5379-97-5 structure

5379-97-5

Literature: Dow Chem. Co. Patent: US2701800 , 1951 ;

120-72-9 structure

120-72-9

~%

5379-97-5 structure

5379-97-5

Literature: Snyder; Matteson Journal of the American Chemical Society, 1957 , vol. 79, p. 2217,2219

22687-14-5 structure

22687-14-5

1068-90-2 structure

1068-90-2

~%

5379-97-5 structure

5379-97-5

Literature: Snyder; Matteson Journal of the American Chemical Society, 1957 , vol. 79, p. 2217,2219

5457-31-8 structure

5457-31-8

30412-43-2 structure

30412-43-2

~%

5379-97-5 structure

5379-97-5

Literature: Snyder; Smith Journal of the American Chemical Society, 1944 , vol. 66, p. 350

1068-90-2 structure

1068-90-2

~%

5379-97-5 structure

5379-97-5

Literature: Chibata; Yamada Bulletin of the Agricultural Chemical Society of Japan, 1957 , vol. 21, p. 58

Precursor 7
87-52-5 1068-90-2 6297-96-7 120-72-9
22687-14-5 5457-31-8 30412-43-2
DownStream 5
10022-82-9 26988-72-7 54-12-6 6976-19-8
42717-06-6